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2-[methyl-[(E)-octadec-9-enoyl]amino]ethyl 4-methylbenzoate

2-[methyl-[(E)-octadec-9-enoyl]amino]ethyl 4-methylbenzoate

Systemtic Name:2-[methyl-[(E)-octadec-9-enoyl]amino]ethyl 4-methylbenzoate
Openeye Name:2-[methyl-[(E)-octadec-9-enoyl]amino]ethyl 4-methylbenzoate
CAS Name:4-methylbenzoic acid 2-[methyl-[(E)-1-oxooctadec-9-enyl]amino]ethyl ester
IUPAC Name:2-[methyl-[(E)-octadec-9-enoyl]amino]ethyl 4-methylbenzoate
Traditional Name:4-methylbenzoic acid 2-[methyl-[(E)-octadec-9-enoyl]amino]ethyl ester
Formula: C29H47NO3
MolecularWeight: 457.68838
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N(C)CCOC(=O)C1=CC=C(C=C1)C


Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)N(C)CCOC(=O)C1=CC=C(C=C1)C


InChI

InChI=1S/C29H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(31)30(3)24-25-33-29(32)27-22-20-26(2)21-23-27/h11-12,20-23H,4-10,13-19,24-25H2,1-3H3/b12-11+


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